UCSF

ZINC19661335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 8.79 -7.91 1 4 0 36 369.484 6
Lo Low (pH 4.5-6) 3.60 11.62 -84.8 3 4 2 38 371.5 6
Lo Low (pH 4.5-6) 3.60 9.45 -39.84 2 4 1 37 370.492 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )